SCHEMBL1742601

SCHEMBL1742601

CCOC(=O)c1cc(CCCN2CCN(C(=O)OC(C)(C)C)CC2)cc(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.45
TLR8 Q9NR97 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
OPRM1 P35372 1/20 0.44
HRH2 P25021 6/20 0.42
HRH1 P35367 6/20 0.42
ACKR3 P25106 3/20 0.41
ATM Q13315 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1742600 0.85 SIGMAR1 (0.49) SIGMAR1TLR8ACKR3
SCHEMBL1743929 0.83 TLR8 (0.50) SIGMAR1TLR8ADORA3HTR2AHTR7
SCHEMBL1743962 0.81 LMNA (0.40) HRH2HRH1ATM
SCHEMBL31752794 0.80 SIGMAR1 (0.56) SIGMAR1TLR8ADORA3HTR2AHTR7
SCHEMBL1742604 0.78 ACKR3 (0.51) SIGMAR1TLR8ADORA3HTR2AHTR7
SCHEMBL1744477 0.78 SIGMAR1 (0.50) SIGMAR1TLR8ADORA3HTR2AHTR7
SCHEMBL16528206 0.77 MAPK1 (0.43) ATM
SCHEMBL7971782 0.77 SIGMAR1 (0.69) SIGMAR1ADORA3HTR2AHTR7OPRM1
SCHEMBL20046103 0.76 SIGMAR1 (0.52) SIGMAR1ADORA3HTR2AHTR7OPRM1
SCHEMBL12161250 0.75 SIGMAR1 (0.47) SIGMAR1TLR8ADORA3HTR2AHTR7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981889-B1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI SA (FR) 2014-01-15 EP disclosed
US-8163736-B2 Cytotoxic agents comprising new tomaymycin derivatives SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
EP-2386559-A1 Cytotoxiv agents comprising new tomaymycin derivatives and their therapeutic use SANOFI (FR) 2011-11-16 EP disclosed
US-20110254808-A1 REFLECTIVE TOUCH DISPLAY PANEL AND MANUFACTURING METHOD THEREOF AU OPTRONICS CORPORATION (TW) 2011-10-20 US disclosed
EP-2371827-A1 Cytotoxic agents comprising new tomaymycin derivatives and their therapeutic use SANOFI (FR) 2011-10-05 EP disclosed
US-20090036431-A1 Cytotoxic Agents Comprising New Tomaymycin Derivatives SANOFI-AVENTIS (FR) 2009-02-05 US disclosed
EP-1981889-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2008-10-22 EP disclosed
WO-2007085930-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-08-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090036431-A1 Cytotoxic Agents Comprising New Tomaymycin Derivatives TOMM70, TOMM34, TOMM40 SIGMAR1 2271/4885TLR8 3231/4885ADORA3 4618/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.